Crystallography Open Database

Information card for entry 7036533

Preview

Coordinates	7036533.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H64 Al N2 Nd Si2
Calculated formula	C34 H64 Al N2 Nd Si2
SMILES	c1(c(cccc1C(C)C)C(C)C)N([Si](C)(C)C)[Nd]1([CH3][Al]([CH3]1)(C)C)N([Si](C)(C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	Rare-earth metal methylidene complexes with Ln3(μ3-CH2)(μ3-Me)(μ2-Me)3 core structure.
Authors of publication	Schädle, Dorothea; Meermann-Zimmermann, Melanie; Maichle-Mössmer, Cäcilia; Schädle, Christoph; Törnroos, Karl W; Anwander, Reiner
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	41
Pages of publication	18101 - 18110
a	17.9545 ± 0.0006 Å
b	17.8184 ± 0.0006 Å
c	12.2373 ± 0.0004 Å
α	90°
β	103.82°
γ	90°
Cell volume	3801.6 ± 0.2 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0144
Residual factor for significantly intense reflections	0.0141
Weighted residual factors for significantly intense reflections	0.0389
Weighted residual factors for all reflections included in the refinement	0.0391
Goodness-of-fit parameter for all reflections included in the refinement	1.113
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
171188 (current)	2015-12-09	cif/ Updating files of 7036525, 7036526, 7036527, 7036528, 7036529, 7036530, 7036531, 7036532, 7036533, 7036534 Original log message: Adding full bibliography for 7036525--7036534.cif.	7036533.cif
156344	2015-09-16	cif/ Adding structures of 7036525, 7036526, 7036527, 7036528, 7036529, 7036530, 7036531, 7036532, 7036533, 7036534 via cif-deposit CGI script.	7036533.cif